6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane

C21H22O5 — CID 123863601

IUPAC6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
SMILESCC.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CCCC3
InChIInChI=1S/C19H16O5.C2H6/c1-24-12-8-4-7-11-13(12)19(23)15-14(18(11)22)16(20)9-5-2-3-6-10(9)17(15)21;1-2/h4,7-8,20-21H,2-3,5-6H2,1H3;1-2H3
InChIKeyRLUMNPCRFJFNQU-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.79
Rot. Bonds1

About 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane

6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane (PubChem CID 123863601) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane.

Molecular Properties

Compound Name6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
PubChem CID123863601
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
SMILESCC.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CCCC3
InChIInChI=1S/C19H16O5.C2H6/c1-24-12-8-4-7-11-13(12)19(23)15-14(18(11)22)16(20)9-5-2-3-6-10(9)17(15)21;1-2/h4,7-8,20-21H,2-3,5-6H2,1H3;1-2H3
InChIKeyRLUMNPCRFJFNQU-UHFFFAOYSA-N
XLogP3.79
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
CID 10565565
6,11-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
CID 123421599
acetylene;(8S)-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 142985248
8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane
CID 145293696
(9S)-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 92969709
1,5-dimethoxyfluoren-9-one
CID 19594782
6,11-dihydroxy-8-(2-hydroxyethanimidoyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 144566328
(9S)-6,7,9,11-tetrahydroxy-4-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
CID 142369617
(2S)-5,12-dihydroxy-7-methoxy-6,11-dioxo-N-(2-sulfanylethyl)-1,2,3,4-tetrahydrotetracene-2-carboxamide
CID 145041168
6,11-dihydroxy-1-methoxy-8-(piperazine-1-carbonyl)-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 171538463
N-(3-aminocyclobutyl)-5,12-dihydroxy-7-methoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-2-carboxamide
CID 171538508
(8R)-8-(2-bromoacetyl)-6,8,11-trihydroxy-1-methoxy-12-methylidene-9,10-dihydro-7H-tetracen-5-one
CID 142048078

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane?
The IUPAC name of 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane (CID 123863601) is 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane.
What is the SMILES notation for 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane?
The canonical SMILES for 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane is CC.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CCCC3.
What is the InChIKey of 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane?
The InChIKey is RLUMNPCRFJFNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5.C2H6/c1-24-12-8-4-7-11-13(12)19(23)15-14(18(11)22)16(20)9-5-2-3-6-10(9)17(15)21;1-2/h4,7-8,20-21H,2-3,5-6H2,1H3;1-2H3.
What are the key properties of 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane?
6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane has a molecular weight of 354.40 g/mol, XLogP of 3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane is sourced from PubChem (CID 123863601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).